(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol

C13H20F4O — CID 176556817

IUPAC(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol
SMILESC/C=C/C(F)(C1CCCCC1)C(C)(O)C(F)(F)F
InChIInChI=1S/C13H20F4O/c1-3-9-12(14,10-7-5-4-6-8-10)11(2,18)13(15,16)17/h3,9-10,18H,4-8H2,1-2H3/b9-3+
InChIKeyNSWIISOUMGVHCU-YCRREMRBSA-N
MW268.29 g/mol
LogP4.16
Rot. Bonds3

About (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol

(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol (PubChem CID 176556817) has the molecular formula C13H20F4O and a molecular weight of 268.29 g/mol. Its IUPAC name is (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol.

Molecular Properties

Compound Name(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol
PubChem CID176556817
Molecular FormulaC13H20F4O
Molecular Weight268.29 g/mol
Exact Mass268.15
IUPAC Name(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol
SMILESC/C=C/C(F)(C1CCCCC1)C(C)(O)C(F)(F)F
InChIInChI=1S/C13H20F4O/c1-3-9-12(14,10-7-5-4-6-8-10)11(2,18)13(15,16)17/h3,9-10,18H,4-8H2,1-2H3/b9-3+
InChIKeyNSWIISOUMGVHCU-YCRREMRBSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 118988123
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CID 12414389
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CID 15697149
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CID 20734469
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CID 23591055
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CID 23591056
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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol?
The IUPAC name of (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol (CID 176556817) is (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol.
What is the SMILES notation for (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol?
The canonical SMILES for (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol is C/C=C/C(F)(C1CCCCC1)C(C)(O)C(F)(F)F.
What is the InChIKey of (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol?
The InChIKey is NSWIISOUMGVHCU-YCRREMRBSA-N. The full InChI is InChI=1S/C13H20F4O/c1-3-9-12(14,10-7-5-4-6-8-10)11(2,18)13(15,16)17/h3,9-10,18H,4-8H2,1-2H3/b9-3+.
What are the key properties of (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol?
(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol has a molecular weight of 268.29 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol is sourced from PubChem (CID 176556817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).